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Wyniki wyszukiwania dla: molecular dynamics simulation
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Turning maneuver as a potential cause of the next stability failure mode for a ship in operation
PublikacjaThe only formal stability-related requirement referring to a turning maneuver of a ship results from the IS Codeand its application is limited to passenger ships only. The goal of the adopted criterion is to prevent an excessiveangle of heel in turn. Likewise, the remaining prescriptive criteria, this one is simply based on the concept ofa threshold that must not be exceeded. In this case, the angle of heel...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublikacjaSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Simulation of the Remanence Influence on the Transient States of the Single-Phase Transformer Including Feedback Preisach Model
PublikacjaThis paper presents the results of the experimental and simulation investigation concerning the influence of remanence in the core of a single-phase transformer at the no-load transient state. Experimental studies consisted of the discharge of the capacitor through the primary winding at several different values of the residual magnetic flux. The paper presents a model of the transformer test system, taking into account the magnetic...
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New Peptide Based Fluconazole Conjugates with Expanded Molecular Targets
PublikacjaInfections of Candida spp. etiology are frequently treated with azole drugs. Among azoles, the most widely used in the clinical scenario remains fluconazole (FLC). Promising results in treatment of dangerous, systemic Candida infections demonstrate the advantages of combined therapies carried out with combinations of at least two different antifungal agents. Here, we report five conjugates composed of covalently linked FLC and...
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Programmatic Simulation of Laser Scanning Products
PublikacjaThe technology of laser scanning is widely used for producing three-dimensional digital representations of geographic features. The measurement results are usually available in the form of 3D point clouds, which are often used as a transitional data model in various remote sensing applications. Unfortunately, while the costs of Light Detection And Ranging scanners have dropped significantly in recent years, they are still considered...
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Image simulation and annotation for color blinded
PublikacjaW pracy przedstawiono metody symulacji obrazów widzianych przez osoby ze ślepota barw. Ukazano również metody tworzenia obrazów ukazujących różnicę w percepcji kolorów pomiędzy normalnym obserwatorem a osobą ze ślepotą barw. W artykule opisano również metodę interaktywnego opisu koloru wskazywanego piksela obrazu. W rezultacie użytkownik ze ślepota barw może uzyskać informacje opisowe o występujących w obrazie kolorach.
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Simulation and measurements for the substance identification by AFM
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Artificjal environment for simulation of emergent behaviour
PublikacjaPrzedstawiono opracowane środowisko dla modelowania zjawisk, w których współdziałanie wielu prostych jednostek prowadzi do powstawania złozonych struktur. Sposób oddziaływania jednostki zawarty jest w jej strukturze, która interpretowana jest poprzez specjalnie zdefiniowany język podobny do Prologu.
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Virtual instruments for stroboscopic effects simulation
PublikacjaPrzedstawiono korzyści wynikające z wykorzystania edukacyjnych przyrządów wirtualnych w nauczaniu metrologii. Jako przykład pokazano przyrządy wirtualne umożliwiające zasymulowanie efektu stroboskopowego, m.in. do analizy działania częstościomierza rezonansowego.
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PROPELLER INVESTIGATIONS BY MEANS OF NUMERICAL SIMULATION
PublikacjaThe analyses of hydroacoustics are of high interest at the moment due to strong impact of hydroacoustic phenomena on marine environment; the noises, generated e.g. by marine traffic, may be harmful for sea life. The analyses presented here are focused on one of main sources of noises generated by ships, i.e. cavitating propeller. The goal of the work is the assessment of the cavitation phenomenon, carried out with the standard...
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Numerical simulation of hardening of concrete plate
PublikacjaThe paper presents a theoretical formulation of concrete curing in order to predict temperature evolution and strength development. The model of heat flow is based on a well-known Fourier equation. The numerical solution is implemented by means of the Finite Difference Method. In order to verify the model, the in situ temperature measurements at the top plate of a road bridge were carried out. A high agreement between numerical...
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Simulation and identification of damage in bar structures.
PublikacjaPraca zawiera opis i testy 3 procedur badawczych dotyczących lokalizacjizniszczeń w konstrukcjach. Procedury bazują na danych modalnych jakie obiektgeneruje podczas swoich drgań tzn. częstościach własnych i postaciach drgań Badane są zmiany podatności układu, zmiany krzywizn postaci drgań i wrażli-wość częstości na założone zniszczenia. Odpowiednie procedury wiążące się ztymi trzema metodami są przestestowane na przykładzie wspornika...
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Analysis and simulation of the reliable multicast protocol.
PublikacjaArtykuł przedstawia badania dotyczące protokołu grupowego porządkowania wiadomości-RMP. Opisana została podstawowa idea algorytmów działania protokołu oraz jego najważniejsze własności. Ponadto został on zimplementowany jako część symulatora protokołów komunikacji grupowej. Wyniki badań i dogłębna analiza mechanizmów działania protokołu pozwoliła na wprowadzenie szeregu modyfikacji w stosunku do oryginalnej specyfikacji,...
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Systems modeling and simulation for environmental management.
PublikacjaW pracy omówiono podstawy systemowego modelowania i symulacji w szerokim zakresie zagadnień związanych z zarządzaniem przepływami informacji w środowisko naturalnym.
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Simulation of fracture process in fibrous concrete
PublikacjaArtykuł omawia wyniki modelowania procesu zarysowania w elementach betonowych zawierające stalowe włókna przy zastosowaniu dyskretnego modelu kratownicowego. Beton był modelowany na poziomie mezoskali z uwzględnieniem 5 faz: kruszywa, zaczynu cementowego, włókien i obu stref kontaktu. Obliczenia wykonano dla jednoosiowego ściskania oraz jednoosiowego rozciągania.
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On low-fidelity models for variable-fidelity simulation-driven design optimization of compact wideband antennas
PublikacjaThe paper addresses simulation-driven design optimization of compact antennas involving variable-fidelity electromagnetic (EM) simulation models. Comprehensive investigations are carried out concerning selection of the coarse model discretization density. The effects of the low-fidelity model setup on the reliability and computational complexity of the optimization process are determined using a benchmark set of three ultra-wideband...
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Supporting development of the smart ship technology by CFD simulation of ship behavior in close to real operational conditions
PublikacjaThe shipping industry is at the milestone of technological development – autonomous ships. Involving smart technologies accelerates development of green and safe shipping. Also IMO regulations, especially EEDI en-hanced application of new technologies. Meeting economic and ecological requirements future ships need to be designed with respect to increased reliability and operational performance. Design process of ships may be improved...
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Depression as is Seen by Molecular Spectroscopy. Phospholipid- Protein Balance in Affective Disorders and Dementia
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Reinforcement Learning Algorithm and FDTD-based Simulation Applied to Schroeder Diffuser Design Optimization
PublikacjaThe aim of this paper is to propose a novel approach to the algorithmic design of Schroeder acoustic diffusers employing a deep learning optimization algorithm and a fitness function based on a computer simulation of the propagation of acoustic waves. The deep learning method employed for the research is a deep policy gradient algorithm. It is used as a tool for carrying out a sequential optimization process the goal of which is...
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Multi-agent large-scale parallel crowd simulation with NVRAM-based distributed cache
PublikacjaThis paper presents the architecture, main components and performance results for a parallel and modu-lar agent-based environment aimed at crowd simulation. The environment allows to simulate thousandsor more agents on maps of square kilometers or more, features a modular design and incorporates non-volatile RAM (NVRAM) with a fail-safe mode that can be activated to allow to continue computationsfrom a recently analyzed state in...
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Development of a simulation model of the activities of a transport and forwarding enterprise in the organization of international road cargo transportation
PublikacjaThe object of this study is the process of planning the work of a transport and forwarding company when serving different categories of customers who need organizational support for the delivery of goods by road transport in international traffic. The solved problem is due to the need to devise recommendations for organizing the work of forwarders when interacting with customers of transport and forwarding services that export...
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Strategies for computationally feasible multi-objective simulation-driven design of compact RF/microwave components
PublikacjaMulti-objective optimization is indispensable when possible trade-offs between various (and usually conflicting) design objectives are to be found. Identification of such design alternatives becomes very challenging when performance evaluation of the structure/system at hand is computationally expensive. Compact RF and microwave components are representative examples of such a situation: due to highly compressed layouts and considerable...
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublikacjaThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Numerical Modeling of Water and Ice Dynamics for Analysis of Flow Around the Kiezmark Bridge Piers
PublikacjaThis paper presents the results of a numerical model study on the effect of ice on the proposed bridge piers in the Vistula River outlet and its effect on flow conditions in the river. The model DynaRICE is used in this study, which is a two-dimensional hydro-ice dynamic numerical model developed for dynamic ice transport and jamming in rivers. To simulate river hydrodynamics in the vicinity of the bridge piers, 2-dimensional numerical...
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Mathematical Modeling of Ice Dynamics as a Decision Support Tool in River Engineering
PublikacjaThe prediction of winter flooding is a complicated task since it is affected by many meteorological and hydraulic factors. Typically, information on river ice conditions is based on historical observations, which are usually incomplete. Recently, data have been supplemented by information extracted from satellite images. All the above mentioned factors provide a good background of the characteristics of ice processes, but are not...
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublikacjaThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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Concept of an Innovative Autonomous Unmanned System for Bathymetric Monitoring of Shallow Waterbodies (INNOBAT System)
PublikacjaBathymetry is a subset of hydrography, aimed at measuring the depth of waterbodies and waterways. Measurements are taken inter alia to detect natural obstacles or other navigational obstacles that endanger the safety of navigation, to examine the navigability conditions, anchorages, waterways and other commercial waterbodies, and to determine the parameters of the safe depth of waterbodies in the vicinity of ports, etc. Therefore,...
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Numerical methodology for evaluation the combustion and emissions characteristics on WLTP in the light duty dual-fuel diesel vehicle
PublikacjaThe worldwide aim of reducing environmental impact from internal combustion engines bring more and more stringent emission regulations. In 2017 by EU has been adopted new harmonized test procedure called WLTP. In general terms this test was designed for determining the levels of harmful emissions and fuel consumption of traditional and hybrid cars. This procedure contains specific driving scenarios which representing reallife driving...
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Social Learning in Cluster Organizations and Accumulation of Technological Capability
PublikacjaThe purpose of the paper is to present how members of cluster organizations perceive their role in the accumulation of technological capability through social learning. The paper presents the results of a qualitative study of four cluster organizations. The theoretical foundation of the study are the communities of practice and the organizational inertia theories. The study indicates that the dynamics of technological capability...
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Critical Review on Robust Speed Control Techniques for Permanent Magnet Synchronous Motor (PMSM) Speed Regulation
PublikacjaThe permanent magnet synchronous motor (PMSM) is a highly efficient energy saving machine. Due to its simple structural characteristics, good heat radiation capability, and high efficiency, PMSMs are gradually replacing AC induction motors in many industrial applications. The PMSM has a nonlinear system and lies on parameters that differ over time with complex high-class dynamics. To achieve the excessive performance operation...
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Methods of measurement signal acquisition from the rotational flow meter for frequency analysis
PublikacjaOne of the simplest and commonly used instruments for measuring the flow of homogeneous substances is the rotational flow meter. The main part of such a device is a rotor (vane or screw) rotating at a speed which is the function of the fluid or gas flow rate. A pulse signal with a frequency proportional to the speed of the rotor is obtained at the sensor output. For measurements in dynamic conditions, a variable interval between...
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Economic growth, structural change and quality upgrading in New Member States
PublikacjaThe purpose of this research is to present the recent developments concerning structural change and productivity growth in New Member States and the role played in such process by country specific factors. We focus on ten countries (NMS-10) which joined the EU in 2004 and analyze productivity dynamics of their labor structures between the years 1995 and 2005 in a comparative setting versus EU-15 economies. NMS-10 have gone through...
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublikacjaWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...